2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide

C15H31N3O — CID 55243368

IUPAC2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCCC1CCCN
InChIInChI=1S/C15H31N3O/c1-4-7-12(2)17-15(19)13(3)18-11-6-9-14(18)8-5-10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyFTVNYGTYUVPNCQ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds8

About 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide (PubChem CID 55243368) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
PubChem CID55243368
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCCC1CCCN
InChIInChI=1S/C15H31N3O/c1-4-7-12(2)17-15(19)13(3)18-11-6-9-14(18)8-5-10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19)
InChIKeyFTVNYGTYUVPNCQ-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-ethylpropanamide
CID 63762840
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidin-2-yl]acetic acid
CID 61370335
2-[1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidin-2-yl]acetic acid
CID 61010725
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-diethylpropanamide
CID 55243556
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
2-[2-(aminomethyl)azepan-1-yl]-N-butylpropanamide
CID 116640561
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-butan-2-ylpropanamide
CID 80506896
2-[2-(aminomethyl)azepan-1-yl]-N-pentylpropanamide
CID 116640455
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-pentan-3-ylpropanamide
CID 66260630
2-[2-(2-hydroxypropyl)pyrrolidin-1-yl]-N-propan-2-ylpropanamide
CID 113321919
3-[1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]piperidin-2-yl]propanoic acid
CID 62217341
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 62469409

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide (CID 55243368) is 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N1CCCC1CCCN.
What is the InChIKey of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
The InChIKey is FTVNYGTYUVPNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-7-12(2)17-15(19)13(3)18-11-6-9-14(18)8-5-10-16/h12-14H,4-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 55243368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).